Sursassite
Mellini M, Merlino S, Pasero M
Physics and Chemistry of Minerals 10 (1984) 99-105
X-ray and HRTEM study of sursassite: crystal structure,
stacking disorder, and sursassite-pumpellyite intergrowth
_database_code_amcsd 0007356
8.70 5.79 9.78 90 108.9 90 P2_1/m
atom      x     y      z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1   .1686   .25  .3143            .024   .010   .011      0   .002      0
Mn2   .2684   .25  .6754            .034   .004   .006      0   .004      0
Al1      .5     0     .5 .93        .013   .004   .005   .000   .002   .001
Mn1      .5     0     .5 .07        .013   .004   .005   .000   .002   .001
Al2      .5     0      0            .003   .002   .004  -.001   .002   .001
Al3       0    .5      0  .9        .006   .004   .006  -.001   .001  -.001
Mn3       0    .5      0  .1        .006   .004   .006  -.001   .001  -.001
Si1   .3070   .75  .1919            .002   .003   .004      0   .001      0
Si2   .2066   .75  .8078            .003   .002   .003      0   .001      0
Si3   .1576   .75  .4941            .010   .004   .004      0   .004      0
O1    .2664 .5146  .5024     .006
O2    .1927 .5251  .1640     .005
O3    .3138 .5164  .8340     .004
O4    .4154   .75  .0822     .005
O5    .4498   .75  .3555     .006
O6    .0842   .25  .9315     .006
O7    .4392   .25  .3683     .011
O8    .0712   .75  .8949     .002
O9    .0902   .75  .6359     .006
O10  -.0055   .75  .3571     .008
O11   .4133   .25  .0735     .005
H1    .0765   .25 -.1370  .5
H1'   .0785   .25  .6434  .5
H2    .3345   .25  .0863  .5
H2'   .1854   .25 -.0470  .5
H3    .4423   .25  .2992  .5
H3'   .3401   .25  .1842  .5